pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.04	OCHEM	1	0	CNc1nc(O)[n+]([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1C	CNc1nc([O-])[n+]([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1C	mol32515	CNc1nc(O)[n+](C2CC(O)C(CO)O2)cc1C